10967/177 - QDB Compounds

QsarDB Repository

Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

ID:1074
Name:2,2',3,4,5,5'-hexachloro-1,1'-biphenyl
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2',3,4,5,5'-Hexachlorobiphenyl
Labels:
CAS:52712-04-6
InChi Code:InChI=1S/C12H4Cl6/c13-5-1-2-8(14)6(3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

ValueSource or prediction
5.95

experimental value

5.1554

Tab2.Model_2: logKoc (Training set)

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